Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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FAIRFIELDITE
1, t-fairfieldite, g-fairfieldite
Ca(2)Mn[PO(4)](2).2H(2)O
Triclinic P 1(-) Z = 1
R =0.075
14 .11 .1989
Ref.Str.:
L.Fanfani, A.Nunzi, P.F.Zanazzi (1970)
* Acta Cryst., B26, 640-645
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.79 alpha = 102.27
b = 6.57 beta = 108.67
c = 5.51 gamma = 90.3
Unit cell volume (cub. angs.) = 193.43
Molar volume ( cub.cm/mol.) = 116.51
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.32 Mn = 1.00
2 0.602 0.2337 0.3332 0.22 Ca = 1.00
3 0.2463 0.2325 0.6472 0.12 P = 1.00
4 0.0031 0.3264 0.6157 0.48 O = 1.00
5 0.4552 0.3995 0.694 0.41 O = 1.00
6 0.2461 0.0699 0.3965 0.45 O = 1.00
7 0.3058 0.1177 0.8785 0.43 O = 1.00
8 0.8457 0.3004 0.0663 0.58 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.602 0.2337 0.3332
3 3 0.2463 0.2325 0.6472
4 4 0.0031 0.3264 0.6157
5 5 0.4552 0.3995 0.694
6 6 0.2461 0.0699 0.3965
7 7 0.3058 0.1177 0.8785
8 8 0.8457 0.3004 0.0663
9 2 0.398 0.7663 0.6668
10 3 0.7537 0.7675 0.3528
11 4 0.9969 0.6736 0.3843
12 5 0.5448 0.6005 0.306
13 6 0.7539 0.9301 0.6035
14 7 0.6942 0.8823 0.1215
15 8 0.1543 0.6996 0.9337
X-ray density (g/cm cub.) = 3.06
MU (1/cm) = 301.001 Mass attenuation coefficient (cm**2/g) = 98.235
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 2.724 6
2.1419 6
2.2684 7
2.1789 8
2.1419 6
2.2684 7
2.1789 8
2 Ca 2.88 8
2.3356 4
2.4561 5
2.4744 6
2.4946 7
2.4376 8
2.4637 5
2.7226 6
2.4985 7
3 P 2.232 4
1.5138 4
1.549 5
1.556 6
1.5627 7
4 O 3.264 8
2.5386 5
2.5546 6
2.5086 7
2.9413 8
2.8348 8
2.8352 4
2.9478 6
2.6491 8
5 O 3.264 7
2.5386 4
2.4567 6
2.5604 7
2.7125 8
3.2194 5
2.9132 5
3.0116 8
6 O 3.264 9
2.5546 4
2.4567 5
2.5156 7
3.062 7
3.0799 8
2.9478 4
3.0192 6
3.1767 7
3.0308 8
7 O 3.264 8
2.5086 4
2.5604 5
3.062 6
2.5156 6
3.1057 8
3.1767 6
2.8689 7
2.9847 8
8 O 3.264 9
2.8348 4
2.9413 4
2.7125 5
3.0799 6
3.1057 7
2.6491 4
3.0116 5
3.0308 6
2.9847 7
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 1 0 6.913 13.826 0.078 135.1 2 30.7 679.6
2 1 0 0 8.098 16.196 0.091 97.84 2 1.6 1.4
3 0 0 1 8.713 17.426 0.098 84.22 2 15.5 108.0
4 -1 0 1 9.764 19.528 0.11 66.62 2 15.4 84.1
5 0 -1 1 9.837 19.674 0.111 65.6 2 15.6 84.9
6 -1 1 0 10.247 20.494 0.115 60.29 2 29.2 274.1
7 1 1 0 11.092 22.185 0.125 51.14 2 5.7 8.8
8 -1 -1 1 11.194 22.388 0.126 50.17 2 14.9 59.5
9 0 1 1 12.341 24.682 0.139 40.91 2 23.4 119.3
10 -1 1 1 12.763 25.527 0.143 38.11 2 24.2 119.2
11 1 0 1 13.791 27.581 0.155 32.36 2 73.7 939.9
12 0 2 0 13.929 27.858 0.156 31.68 2 38.4 249.1
13 1 -1 1 14.225 28.449 0.16 30.29 2 14.7 35.1
14 0 -2 1 14.701 29.403 0.165 28.24 2 51.3 397.6
15 -1 2 0 15.612 31.223 0.175 24.82 2 50.8 342.3
16 -2 0 1 15.814 31.627 0.177 24.14 2 46.1 274.3
17 -1 -2 1 15.958 31.915 0.178 23.67 2 34.3 149.1
18 2 0 0 16.364 32.728 0.183 22.42 2 2.3 0.6
19 1 1 1 16.665 33.329 0.186 21.55 2 44.8 231.3
20 1 2 0 16.76 33.521 0.187 21.29 2 2.9 1.0
21 -1 0 2 16.803 33.607 0.188 21.17 2 54.3 333.5
22 -1 -1 2 16.874 33.748 0.188 20.98 2 34.2 131.1
23 -2 -1 1 17.04 34.08 0.19 20.54 2 73.1 586.5
24 -2 1 0 17.306 34.613 0.193 19.85 2 0.3 0.0
25 0 -1 2 17.436 34.873 0.195 19.53 2 28.5 85.1
26 -2 1 1 17.62 35.239 0.196 19.09 2 4.3 1.9
27 0 0 2 17.636 35.272 0.197 19.05 2 1.6 0.3
28 1 -2 1 17.747 35.494 0.198 18.79 2 29.8 89.5
29 0 2 1 18.184 36.367 0.203 17.82 2 23.1 50.6
30 -1 2 1 18.227 36.453 0.203 17.72 2 57.0 307.6
31 2 1 0 18.361 36.722 0.204 17.44 2 22.0 45.0
32 -1 1 2 19.54 39.08 0.217 15.2 2 36.1 105.8
33 -1 -2 2 19.725 39.45 0.219 14.89 2 35.9 102.4
34 -2 0 2 19.827 39.654 0.22 14.72 2 18.5 26.8
35 0 -2 2 19.98 39.961 0.222 14.47 2 8.3 5.4
36 -2 -1 2 20.127 40.254 0.223 14.23 2 38.3 111.4
37 0 1 2 20.511 41.021 0.227 13.65 2 17.4 22.2
38 -2 -2 1 20.83 41.661 0.231 13.18 2 27.5 53.3
39 -2 2 0 20.842 41.684 0.231 13.17 2 31.3 68.9
40 0 -3 1 21.014 42.028 0.233 12.93 2 0.0 0.0
41 0 3 0 21.167 42.333 0.234 12.72 2 20.0 27.3
42 2 0 1 21.167 42.334 0.234 12.72 2 13.7 12.8
43 2 -1 1 21.241 42.482 0.235 12.62 2 12.3 10.1
44 1 -1 2 21.557 43.115 0.239 12.21 2 49.9 162.4
45 1 2 1 21.693 43.385 0.24 12.04 2 25.7 42.5
46 -2 2 1 21.804 43.608 0.241 11.9 2 19.4 24.1
47 1 0 2 21.948 43.895 0.243 11.73 2 29.1 53.2
48 -2 1 2 22.027 44.053 0.243 11.63 2 16.7 17.3
49 -1 3 0 22.151 44.303 0.245 11.48 2 56.6 196.4
50 -1 -3 1 22.175 44.35 0.245 11.46 2 46.9 135.0
51 2 2 0 22.63 45.26 0.25 10.94 2 11.6 7.9
52 -2 -2 2 22.846 45.693 0.252 10.71 2 38.2 83.7
53 1 -3 1 23.139 46.277 0.255 10.41 2 33.5 62.4
54 1 3 0 23.443 46.886 0.258 10.1 2 15.4 12.8
55 2 1 1 23.459 46.919 0.258 10.09 2 34.6 64.7
56 1 -2 2 23.523 47.046 0.259 10.03 2 47.1 119.1
57 -3 0 1 23.535 47.07 0.259 10.01 2 10.0 5.3
58 2 -2 1 23.664 47.329 0.261 9.89 2 47.7 120.2
59 -1 2 2 24.284 48.567 0.267 9.33 2 22.1 24.4
60 -1 -3 2 24.543 49.086 0.27 9.1 2 16.3 13.0
61 0 -3 2 24.555 49.111 0.27 9.09 2 14.7 10.5
62 1 1 2 24.605 49.21 0.27 9.05 2 5.5 1.4
63 -3 -1 1 24.634 49.269 0.271 9.03 2 5.6 1.5
64 -3 1 1 24.664 49.327 0.271 9.0 2 46.8 105.3
65 -1 3 1 24.791 49.582 0.272 8.9 2 1.0 0.0
66 -1 -1 3 24.858 49.717 0.273 8.84 2 19.8 18.5
67 0 3 1 24.959 49.918 0.274 8.76 2 32.2 48.5
68 3 0 0 24.999 49.998 0.274 8.73 2 24.5 28.0
69 0 2 2 25.306 50.612 0.277 8.49 2 58.6 155.8
70 -1 0 3 25.422 50.844 0.279 8.4 2 12.9 7.4
71 -3 1 0 25.477 50.954 0.279 8.36 2 20.9 19.4
72 -3 0 2 25.563 51.127 0.28 8.3 2 29.8 39.5
73 -3 -1 2 26.006 52.012 0.285 7.98 2 4.6 0.9
74 -2 3 0 26.108 52.215 0.286 7.91 2 2.1 0.2
75 -2 2 2 26.222 52.444 0.287 7.83 2 34.2 48.9
76 -2 -3 1 26.278 52.556 0.287 7.79 2 40.6 68.6
77 0 -1 3 26.298 52.595 0.288 7.78 2 5.9 1.5
78 -2 -1 3 26.338 52.676 0.288 7.75 2 7.3 2.2
79 -1 -2 3 26.431 52.861 0.289 7.69 2 56.0 129.1
80 3 1 0 26.646 53.292 0.291 7.55 2 68.0 186.4
81 -2 0 3 26.688 53.376 0.292 7.52 2 10.7 4.6
82 0 0 3 27.03 54.06 0.295 7.31 2 67.5 177.9
83 -3 1 2 27.213 54.426 0.297 7.2 2 44.0 74.6
84 -2 -3 2 27.419 54.838 0.299 7.07 2 30.5 35.2
85 1 -3 2 27.454 54.908 0.299 7.05 2 6.6 1.6
86 -2 3 1 27.504 55.008 0.3 7.02 2 37.0 51.5
87 0 -2 3 27.625 55.251 0.301 6.95 2 29.9 33.3
88 2 2 1 27.663 55.327 0.301 6.93 2 18.5 12.7
89 -3 -2 1 27.765 55.53 0.302 6.88 2 18.1 12.0
90 -3 2 1 27.819 55.637 0.303 6.85 2 41.4 62.8
91 2 -1 2 27.966 55.933 0.304 6.76 2 10.1 3.7
92 2 -3 1 27.967 55.934 0.304 6.76 2 5.6 1.1
93 1 3 1 27.971 55.942 0.304 6.76 2 26.2 24.8
94 -3 2 0 28.002 56.005 0.305 6.74 2 14.8 7.9
95 -1 1 3 28.029 56.057 0.305 6.73 2 22.0 17.4
96 -2 -2 3 28.037 56.073 0.305 6.73 2 19.5 13.7
97 0 -4 1 28.093 56.187 0.306 6.69 2 0.2 0.0
98 2 3 0 28.375 56.75 0.308 6.54 2 52.9 97.7
99 -3 -2 2 28.472 56.944 0.309 6.49 2 13.5 6.3
100 2 0 2 28.473 56.946 0.309 6.49 2 29.3 29.9
101 0 4 0 28.78 57.559 0.313 6.34 2 35.9 43.6
102 -2 1 3 29.036 58.072 0.315 6.21 2 35.0 40.6
103 1 2 2 29.064 58.128 0.315 6.2 2 25.0 20.7
104 -1 -4 1 29.22 58.44 0.317 6.13 2 15.2 7.6
105 -1 4 0 29.394 58.788 0.319 6.04 2 4.8 0.8
106 2 -2 2 29.436 58.871 0.319 6.02 2 15.0 7.2
107 3 -1 1 29.456 58.912 0.319 6.02 2 37.9 46.1
108 3 0 1 29.577 59.154 0.32 5.96 2 18.8 11.3
109 1 -4 1 29.661 59.322 0.321 5.92 2 35.4 39.6
110 0 1 3 29.718 59.436 0.322 5.9 2 12.9 5.2
111 -1 -3 3 29.901 59.803 0.324 5.82 2 21.5 14.4
112 3 2 0 30.174 60.349 0.326 5.7 2 29.6 26.7
113 -1 3 2 30.354 60.708 0.328 5.62 2 28.0 23.5
114 1 -1 3 30.365 60.729 0.328 5.62 2 10.9 3.6
115 -3 -1 3 30.438 60.876 0.329 5.59 2 26.4 20.9
116 0 -4 2 30.502 61.003 0.329 5.56 2 6.1 1.1
117 -3 0 3 30.582 61.164 0.33 5.53 2 16.9 8.4
118 -1 -4 2 30.666 61.332 0.331 5.5 2 56.6 94.3
119 -3 2 2 30.724 61.448 0.332 5.47 2 39.4 45.5
120 1 4 0 30.811 61.623 0.332 5.44 2 4.9 0.7
121 0 -3 3 30.834 61.667 0.333 5.43 2 21.5 13.4
122 2 1 2 30.894 61.788 0.333 5.41 2 32.8 31.2
123 1 0 3 31.207 62.414 0.336 5.29 2 6.5 1.2
124 3 -2 1 31.241 62.482 0.337 5.28 2 31.9 28.7
125 1 -2 3 31.408 62.816 0.338 5.21 2 16.8 7.9
126 0 3 2 31.412 62.824 0.338 5.21 2 30.4 25.7
127 -2 -3 3 31.564 63.128 0.34 5.16 2 27.6 21.1
128 3 1 1 31.591 63.181 0.34 5.15 2 0.5 0.0
129 -2 3 2 31.871 63.741 0.343 5.05 2 10.4 2.9
130 -1 4 1 32.126 64.252 0.345 4.96 2 1.5 0.1
131 -3 -2 3 32.166 64.333 0.346 4.95 2 14.5 5.6
132 -4 0 1 32.223 64.447 0.346 4.93 2 11.1 3.2
133 -3 3 0 32.255 64.509 0.346 4.92 2 39.2 40.3
134 -1 2 3 32.35 64.701 0.347 4.89 2 29.7 23.0
135 0 4 1 32.438 64.876 0.348 4.86 2 7.2 1.3
136 -3 -3 1 32.535 65.071 0.349 4.83 2 11.0 3.1
137 -2 4 0 32.563 65.126 0.349 4.82 2 9.8 2.5
138 -3 1 3 32.584 65.168 0.35 4.81 2 9.3 2.2
139 -3 3 1 32.609 65.217 0.35 4.81 2 13.1 4.4
140 -3 -3 2 32.663 65.325 0.35 4.79 2 33.3 28.4
141 2 -3 2 32.715 65.43 0.351 4.77 2 61.1 95.2
142 -2 -4 1 32.869 65.737 0.352 4.72 2 23.8 14.3
143 1 -4 2 32.884 65.768 0.352 4.72 2 7.9 1.6
144 -4 1 1 32.981 65.961 0.353 4.69 2 43.5 47.5
145 -4 0 2 33.026 66.052 0.354 4.68 2 2.7 0.2
146 -2 2 3 33.111 66.222 0.355 4.65 2 33.5 28.0
147 -4 -1 1 33.292 66.585 0.356 4.6 2 31.5 24.4
148 2 3 1 33.311 66.622 0.356 4.59 2 25.6 16.1
149 -2 -4 2 33.357 66.714 0.357 4.58 2 18.1 8.0
150 -4 -1 2 33.571 67.142 0.359 4.52 2 44.4 47.5
151 2 -4 1 33.692 67.384 0.36 4.48 2 0.3 0.0
152 1 1 3 33.856 67.712 0.362 4.44 2 14.3 4.9
153 0 2 3 34.077 68.154 0.364 4.38 2 19.2 8.6
154 -1 -1 4 34.147 68.294 0.364 4.36 2 23.7 13.1
155 1 -3 3 34.24 68.48 0.365 4.34 2 14.0 4.6
156 -4 1 2 34.283 68.566 0.366 4.32 2 16.4 6.2
157 4 0 0 34.296 68.592 0.366 4.32 2 23.4 12.6
158 -2 4 1 34.3 68.599 0.366 4.32 2 43.1 42.9
159 -2 -1 4 34.522 69.043 0.368 4.26 2 44.5 45.0
160 -4 1 0 34.527 69.053 0.368 4.26 2 30.3 20.9
161 3 -3 1 34.764 69.528 0.37 4.2 2 14.1 4.5
162 1 3 2 34.915 69.83 0.372 4.17 2 40.6 36.7
163 -1 -4 3 34.931 69.863 0.372 4.16 2 1.3 0.0
164 -1 -2 4 34.954 69.908 0.372 4.16 2 29.1 18.8
165 2 2 2 34.997 69.995 0.372 4.15 2 4.3 0.4
166 -1 0 4 35.115 70.231 0.373 4.12 2 14.2 4.5
167 1 4 1 35.203 70.406 0.374 4.1 2 45.6 45.6
168 2 4 0 35.222 70.443 0.374 4.09 2 14.1 4.4
169 3 3 0 35.252 70.504 0.375 4.09 2 22.5 11.1
170 3 2 1 35.315 70.63 0.375 4.07 2 15.8 5.4
171 -2 0 4 35.323 70.645 0.375 4.07 2 42.7 39.7
172 -2 -2 4 35.488 70.976 0.377 4.03 2 7.5 1.2
173 -4 2 1 35.505 71.009 0.377 4.03 2 2.4 0.1
174 -3 -3 3 35.619 71.238 0.378 4.0 2 29.1 18.1
175 0 -4 3 35.631 71.262 0.378 4.0 2 49.2 51.8
176 -3 3 2 35.783 71.566 0.38 3.97 2 7.9 1.3
177 4 1 0 35.833 71.666 0.38 3.96 2 0.9 0.0
178 -4 -2 2 35.879 71.758 0.38 3.95 2 20.3 8.7
179 0 -5 1 35.903 71.807 0.381 3.94 2 9.8 2.0
180 3 -1 2 35.941 71.882 0.381 3.93 2 4.7 0.5
181 -4 -2 1 36.106 72.212 0.383 3.9 2 8.3 1.4
182 0 -1 4 36.191 72.382 0.383 3.88 2 13.5 3.8
183 -3 2 3 36.281 72.562 0.384 3.86 2 17.7 6.5
184 -4 2 0 36.51 73.019 0.386 3.81 2 27.9 15.9
185 2 -1 3 36.539 73.078 0.386 3.81 2 20.4 8.4
186 3 0 2 36.545 73.09 0.387 3.81 2 2.9 0.2
187 -4 0 3 36.611 73.221 0.387 3.79 2 12.2 3.0
188 -2 -4 3 36.633 73.267 0.387 3.79 2 14.4 4.2
189 -4 -1 3 36.64 73.28 0.387 3.79 2 8.3 1.4
190 0 -2 4 36.819 73.638 0.389 3.75 2 35.0 24.5
191 0 5 0 36.999 73.998 0.391 3.72 2 17.8 6.3
192 -1 -5 1 37.056 74.112 0.391 3.71 2 7.8 1.2
193 3 -2 2 37.074 74.149 0.391 3.71 2 13.6 3.7
194 1 -5 1 37.129 74.258 0.392 3.7 2 10.3 2.1
195 -4 2 2 37.257 74.514 0.393 3.67 2 14.5 4.1
196 -3 -1 4 37.284 74.568 0.393 3.67 2 4.7 0.4
197 0 0 4 37.296 74.593 0.393 3.67 2 26.9 14.1
198 2 -2 3 37.336 74.672 0.394 3.66 2 28.3 15.6
199 -1 5 0 37.381 74.763 0.394 3.65 2 1.7 0.1
200 2 0 3 37.47 74.94 0.395 3.63 2 14.9 4.3
201 -1 -3 4 37.487 74.975 0.395 3.63 2 22.2 9.5
202 -1 4 2 37.499 74.999 0.395 3.63 2 37.8 27.8
203 0 -5 2 37.554 75.109 0.396 3.62 2 12.6 3.1
204 2 -4 2 37.562 75.125 0.396 3.62 2 49.5 47.3
205 -1 1 4 37.801 75.601 0.398 3.58 2 8.9 1.5
206 -2 1 4 37.843 75.687 0.398 3.57 2 5.2 0.5
207 -1 -5 2 37.862 75.725 0.398 3.57 2 46.5 41.2
208 -3 0 4 37.903 75.805 0.399 3.56 2 10.6 2.1
209 -3 4 0 37.949 75.898 0.399 3.55 2 16.2 5.0
210 -1 3 3 38.105 76.209 0.401 3.53 2 21.5 8.7
211 1 2 3 38.13 76.26 0.401 3.52 2 6.2 0.7
212 -2 -3 4 38.165 76.33 0.401 3.52 2 30.1 17.0
213 -4 1 3 38.301 76.603 0.402 3.5 2 24.1 10.8
214 -3 -4 2 38.306 76.613 0.402 3.49 2 10.8 2.2
215 -3 -2 4 38.38 76.76 0.403 3.48 2 14.5 3.9
216 -4 -2 3 38.387 76.775 0.403 3.48 2 15.9 4.7
217 0 4 2 38.618 77.236 0.405 3.45 2 2.0 0.1
218 -2 3 3 38.657 77.314 0.405 3.44 2 3.6 0.2
219 -3 -4 1 38.673 77.345 0.406 3.44 2 3.7 0.3
220 1 -4 3 38.679 77.359 0.406 3.44 2 1.9 0.1
221 -2 4 2 38.723 77.446 0.406 3.43 2 18.2 6.1
222 -3 4 1 38.763 77.527 0.406 3.42 2 10.4 2.0
223 4 -1 1 38.767 77.535 0.406 3.42 2 10.6 2.1
224 3 1 2 38.856 77.713 0.407 3.41 2 5.5 0.6
225 1 5 0 38.964 77.928 0.408 3.39 2 10.9 2.2
226 4 0 1 39.031 78.061 0.409 3.39 2 13.7 3.4
227 4 2 0 39.051 78.102 0.409 3.38 2 7.8 1.1
228 0 -3 4 39.15 78.3 0.41 3.37 2 4.3 0.3
229 1 -5 2 39.582 79.163 0.414 3.31 2 2.0 0.1
230 -4 3 1 39.654 79.308 0.414 3.3 2 14.1 3.5
231 2 -3 3 39.824 79.649 0.416 3.28 2 0.9 0.0
232 -4 -3 2 39.825 79.649 0.416 3.28 2 20.0 7.0
233 3 -4 1 39.829 79.657 0.416 3.28 2 8.7 1.3
234 0 3 3 39.88 79.759 0.416 3.27 2 2.9 0.1
235 3 -3 2 39.892 79.784 0.416 3.27 2 3.3 0.2
236 0 1 4 40.084 80.169 0.418 3.24 2 6.9 0.8
237 2 1 3 40.087 80.174 0.418 3.24 2 16.9 5.0
238 -2 5 0 40.089 80.178 0.418 3.24 2 34.0 20.1
239 -4 3 0 40.145 80.29 0.419 3.24 2 3.6 0.2
240 4 -2 1 40.196 80.393 0.419 3.23 2 27.2 12.8
241 2 4 1 40.2 80.4 0.419 3.23 2 26.0 11.6
242 -3 1 4 40.211 80.422 0.419 3.23 2 37.4 24.1
243 -1 5 1 40.323 80.646 0.42 3.22 2 9.9 1.7
244 -2 -5 2 40.489 80.979 0.421 3.2 2 8.1 1.1
245 1 -1 4 40.51 81.019 0.422 3.19 2 0.5 0.0
246 -2 -5 1 40.515 81.03 0.422 3.19 2 47.2 38.0
247 -4 -3 1 40.523 81.046 0.422 3.19 2 23.7 9.6
248 3 3 1 40.565 81.129 0.422 3.19 2 24.9 10.6
249 2 3 2 40.584 81.169 0.422 3.18 2 31.7 17.1
250 -3 -4 3 40.623 81.246 0.423 3.18 2 4.5 0.4
251 2 -5 1 40.657 81.314 0.423 3.18 2 13.6 3.2
252 0 5 1 40.764 81.528 0.424 3.16 2 13.6 3.1
253 1 -2 4 40.961 81.923 0.426 3.14 2 31.4 16.6
254 4 1 1 40.978 81.956 0.426 3.14 2 45.0 34.0
255 -3 -3 4 41.149 82.298 0.427 3.12 2 23.6 9.3
256 -1 -5 3 41.334 82.668 0.429 3.1 2 4.9 0.4
257 -3 3 3 41.512 83.024 0.43 3.08 2 41.6 28.5
258 -1 -4 4 41.64 83.28 0.431 3.07 2 11.2 2.0
259 -4 2 3 41.647 83.293 0.431 3.07 2 4.5 0.3
260 3 4 0 41.703 83.406 0.432 3.07 2 6.7 0.7
261 1 0 4 41.734 83.468 0.432 3.06 2 39.7 25.8
262 -4 -3 3 41.787 83.575 0.433 3.06 2 46.7 35.6
263 -4 3 2 41.824 83.649 0.433 3.05 2 51.8 43.9
264 0 -5 3 41.844 83.687 0.433 3.05 2 34.3 19.3
265 -2 2 4 41.984 83.968 0.434 3.04 2 10.2 1.7
266 -5 0 2 41.991 83.982 0.434 3.04 2 19.7 6.3
267 1 4 2 42.025 84.05 0.435 3.04 2 12.9 2.7
268 -5 0 1 42.066 84.133 0.435 3.03 2 16.2 4.2
269 -1 2 4 42.097 84.194 0.435 3.03 2 24.8 9.9
270 -2 5 1 42.177 84.354 0.436 3.02 2 7.5 0.9
271 -3 4 2 42.231 84.461 0.436 3.02 2 10.3 1.7
272 -4 -1 4 42.27 84.539 0.437 3.01 2 13.9 3.1
273 -2 -4 4 42.455 84.909 0.438 3.0 2 20.9 7.0
274 -5 1 1 42.602 85.205 0.439 2.99 2 9.5 1.4
275 -5 -1 2 42.648 85.296 0.44 2.98 2 0.3 0.0
276 -4 0 4 42.716 85.432 0.44 2.98 2 13.8 3.0
277 3 2 2 42.797 85.594 0.441 2.97 2 13.4 2.8
278 -5 1 2 43.001 86.002 0.443 2.95 2 6.0 0.6
279 1 -3 4 43.08 86.16 0.443 2.95 2 14.9 3.5
280 0 -4 4 43.11 86.219 0.444 2.95 2 1.0 0.0
281 -2 -5 3 43.111 86.222 0.444 2.95 2 4.0 0.3
282 2 5 0 43.187 86.374 0.444 2.94 2 2.9 0.1
283 -5 -1 1 43.197 86.394 0.444 2.94 2 36.1 20.5
284 4 -3 1 43.281 86.561 0.445 2.93 2 34.3 18.4
285 1 5 1 43.488 86.977 0.447 2.92 2 43.1 29.0
286 -4 -2 4 43.489 86.977 0.447 2.92 2 6.0 0.6
287 4 3 0 43.859 87.717 0.45 2.89 2 24.6 9.4
288 2 -5 2 43.863 87.727 0.45 2.89 2 6.9 0.7
289 1 3 3 43.917 87.833 0.45 2.89 2 17.8 4.9
290 2 -4 3 43.938 87.875 0.45 2.89 2 19.4 5.8
291 -3 2 4 44.151 88.303 0.452 2.88 2 32.7 16.4
292 3 -4 2 44.323 88.646 0.454 2.86 2 8.8 1.2
293 2 2 3 44.326 88.652 0.454 2.86 2 2.8 0.1
294 0 2 4 44.488 88.976 0.455 2.86 2 31.3 14.9
295 -2 -1 5 44.507 89.013 0.455 2.85 2 8.2 1.0
296 -5 0 3 44.551 89.102 0.455 2.85 2 41.7 26.5
297 4 2 1 44.569 89.137 0.456 2.85 2 21.2 6.9
298 3 -1 3 44.604 89.209 0.456 2.85 2 24.7 9.3
299 1 1 4 44.615 89.229 0.456 2.85 2 34.6 18.3
300 1 -5 3 44.63 89.26 0.456 2.85 2 1.6 0.0
301 0 -6 1 44.713 89.427 0.457 2.84 2 28.9 12.7
302 -5 -1 3 44.733 89.466 0.457 2.84 2 5.6 0.5
303 5 0 0 44.776 89.552 0.457 2.84 2 30.2 13.8
304 -5 2 1 44.799 89.597 0.457 2.84 2 16.3 4.0
305 -4 1 4 44.823 89.645 0.458 2.84 2 20.9 6.6
306 -5 1 0 44.837 89.675 0.458 2.84 2 32.1 15.6
307 -2 -2 5 44.942 89.885 0.459 2.83 2 18.7 5.3
308 -1 -1 5 44.961 89.923 0.459 2.83 2 20.1 6.1
309 -5 -2 2 44.965 89.93 0.459 2.83 2 1.8 0.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 1 0 6.913 13.826 6.39978 679.6 72.3 73.0 5.6
2 0 0 1 8.713 17.426 5.08488 108.0 11.5 11.6 5.6
3 -1 0 1 9.764 19.528 4.542 84.1 9.0 9.0 5.6
4 0 -1 1 9.837 19.674 4.50854 84.9 9.0 9.1 5.6
5 -1 1 0 10.247 20.494 4.32998 274.1 29.2 29.3 5.6
6 -1 -1 1 11.194 22.388 3.96785 59.5 6.3 6.4 5.6
7 0 1 1 12.341 24.682 3.60405 119.3 12.7 12.7 5.6
8 -1 1 1 12.763 25.527 3.48659 119.2 12.7 12.7 5.6
9 1 0 1 13.791 27.581 3.23141 939.9 100.0 100.0 5.6
10 0 2 0 13.929 27.858 3.19989 249.1 26.5 26.5 5.6
11 1 -1 1 14.225 28.449 3.13475 35.1 3.7 3.7 5.6
12 0 -2 1 14.701 29.403 3.03522 397.6 42.3 42.2 5.6
13 -1 2 0 15.612 31.223 2.86228 342.3 36.4 36.3 5.6
14 -2 0 1 15.814 31.627 2.82661 274.3 29.2 29.1 5.6
15 -1 -2 1 15.958 31.915 2.80175 149.1 15.9 15.8 5.6
16 1 1 1 16.665 33.329 2.68606 231.3 24.6 24.5 5.7
17 -1 0 2 16.803 33.607 2.6645 333.5 35.5 35.3 5.7
18 -1 -1 2 16.874 33.748 2.65371 131.1 14.0 13.9 5.7
19 -2 -1 1 17.04 34.08 2.6286 586.5 62.4 62.1 5.7
20 0 -1 2 17.436 34.873 2.57064 85.1 9.1 9.0 5.7
21 1 -2 1 17.747 35.494 2.52706 89.5 9.5 9.5 5.7
22 0 2 1 18.184 36.367 2.46835 50.6 5.4 5.3 5.7
23 -1 2 1 18.227 36.453 2.46272 307.6 32.7 32.5 5.7
24 2 1 0 18.361 36.722 2.44529 45.0 4.8 4.8 5.7
25 -1 1 2 19.54 39.08 2.30304 105.8 11.3 11.1 5.7
26 -1 -2 2 19.725 39.45 2.28229 102.4 10.9 10.8 5.7
27 -2 0 2 19.827 39.654 2.271 26.8 2.8 2.8 5.7
28 -2 -1 2 20.127 40.254 2.2385 111.4 11.9 11.7 5.7
29 0 1 2 20.511 41.021 2.19841 22.2 2.4 2.3 5.7
30 -2 2 0 20.842 41.684 2.16499 122.2 13.0 12.8 5.7
31 0 3 0 21.167 42.333 2.13326 40.1 4.3 4.2 5.7
32 2 -1 1 21.241 42.482 2.12612 10.1 1.1 1.1 5.7
33 1 -1 2 21.557 43.115 2.09638 162.4 17.3 17.0 5.7
34 1 2 1 21.693 43.385 2.08393 42.5 4.5 4.5 5.7
35 -2 2 1 21.804 43.608 2.07381 24.1 2.6 2.5 5.7
36 1 0 2 21.948 43.895 2.06091 53.2 5.7 5.6 5.7
37 -2 1 2 22.027 44.053 2.05388 17.3 1.8 1.8 5.7
38 -1 3 0 22.151 44.303 2.04288 331.4 35.3 34.7 5.7
39 -2 -2 2 22.846 45.693 1.98392 83.7 8.9 8.8 5.7
40 1 -3 1 23.139 46.277 1.96021 62.4 6.6 6.5 5.7
41 2 1 1 23.459 46.919 1.9349 77.5 8.2 8.1 5.7
42 1 -2 2 23.523 47.046 1.92996 124.5 13.2 13.0 5.7
43 2 -2 1 23.664 47.329 1.91909 120.2 12.8 12.5 5.7
44 -1 2 2 24.284 48.567 1.873 24.4 2.6 2.5 5.7
45 -1 -3 2 24.543 49.086 1.85442 23.5 2.5 2.4 5.7
46 -3 1 1 24.664 49.327 1.84592 105.3 11.2 11.0 5.7
47 -1 -1 3 24.858 49.717 1.83236 18.5 2.0 1.9 5.7
48 0 3 1 24.959 49.918 1.82543 48.5 5.2 5.0 5.7
49 3 0 0 24.999 49.998 1.8227 28.0 3.0 2.9 5.7
50 0 2 2 25.306 50.612 1.80203 155.8 16.6 16.2 5.8
51 -3 1 0 25.477 50.954 1.79073 19.4 2.1 2.0 5.8
52 -3 0 2 25.563 51.127 1.78508 39.5 4.2 4.1 5.8
53 -2 2 2 26.222 52.444 1.7433 48.9 5.2 5.1 5.8
54 -2 -3 1 26.278 52.556 1.73984 70.0 7.5 7.3 5.8
55 -1 -2 3 26.431 52.861 1.73052 129.1 13.7 13.4 5.8
56 3 1 0 26.646 53.292 1.71755 186.4 19.8 19.3 5.8
57 0 0 3 27.03 54.06 1.69496 177.9 18.9 18.4 5.8
58 -3 1 2 27.213 54.426 1.6844 74.6 7.9 7.7 5.8
59 -2 -3 2 27.419 54.838 1.67271 35.2 3.7 3.6 5.8
60 -2 3 1 27.504 55.008 1.66794 51.5 5.5 5.3 5.8
61 0 -2 3 27.625 55.251 1.66121 33.3 3.5 3.4 5.8
62 2 2 1 27.663 55.327 1.65909 12.7 1.3 1.3 5.8
63 -3 -2 1 27.765 55.53 1.65352 12.0 1.3 1.2 5.8
64 -3 2 1 27.819 55.637 1.65058 62.8 6.7 6.5 5.8
65 1 3 1 27.971 55.942 1.64229 29.7 3.2 3.1 5.8
66 -1 1 3 28.029 56.057 1.6392 39.0 4.2 4.0 5.8
67 2 3 0 28.375 56.75 1.62081 97.7 10.4 10.1 5.8
68 2 0 2 28.473 56.946 1.61571 36.2 3.8 3.7 5.8
69 0 4 0 28.78 57.559 1.59995 43.6 4.6 4.5 5.8
70 -2 1 3 29.036 58.072 1.58703 61.3 6.5 6.3 5.8
71 3 -1 1 29.456 58.912 1.56639 53.4 5.7 5.5 5.8
72 3 0 1 29.577 59.154 1.56056 11.3 1.2 1.2 5.8
73 1 -4 1 29.661 59.322 1.55654 39.6 4.2 4.1 5.8
74 -1 -3 3 29.901 59.803 1.54517 14.4 1.5 1.5 5.8
75 3 2 0 30.174 60.349 1.53248 26.7 2.8 2.7 5.8
76 -1 3 2 30.354 60.708 1.52428 27.1 2.9 2.8 5.8
77 -3 -1 3 30.438 60.876 1.52046 20.9 2.2 2.1 5.8
78 -1 -4 2 30.666 61.332 1.51025 94.3 10.0 9.7 5.8
79 -3 2 2 30.724 61.448 1.50768 45.5 4.8 4.7 5.8
80 0 -3 3 30.834 61.667 1.50285 13.4 1.4 1.4 5.8
81 2 1 2 30.894 61.788 1.50021 31.2 3.3 3.2 5.8
82 3 -2 1 31.241 62.482 1.4852 28.7 3.1 2.9 5.8
83 0 3 2 31.412 62.824 1.47793 33.6 3.6 3.4 5.9
84 -2 -3 3 31.564 63.128 1.47154 21.1 2.2 2.2 5.9
85 -3 3 0 32.255 64.509 1.44333 40.3 4.3 4.1 5.9
86 -1 2 3 32.35 64.701 1.43952 23.0 2.4 2.3 5.9
87 -3 -3 2 32.663 65.325 1.42726 28.4 3.0 2.9 5.9
88 2 -3 2 32.715 65.43 1.42524 95.2 10.1 9.7 5.9
89 -2 -4 1 32.869 65.737 1.41931 15.9 1.7 1.6 5.9
90 -4 1 1 32.981 65.961 1.41503 47.5 5.1 4.8 5.9
91 -2 2 3 33.111 66.222 1.4101 28.0 3.0 2.8 5.9
92 -4 -1 1 33.292 66.585 1.40329 40.5 4.3 4.1 5.9
93 -4 -1 2 33.571 67.142 1.39298 47.5 5.1 4.8 5.9
94 -1 -1 4 34.147 68.294 1.37228 13.1 1.4 1.3 5.9
95 -2 4 1 34.3 68.599 1.36691 61.7 6.6 6.3 5.9
96 -2 -1 4 34.522 69.043 1.3592 66.0 7.0 6.7 5.9
97 1 3 2 34.915 69.83 1.3458 36.7 3.9 3.7 5.9
98 -1 -2 4 34.954 69.908 1.34448 18.8 2.0 1.9 5.9
99 1 4 1 35.203 70.406 1.33619 50.0 5.3 5.0 5.9
100 3 3 0 35.252 70.504 1.33458 11.1 1.2 1.1 5.9
101 -2 0 4 35.323 70.645 1.33225 45.1 4.8 4.6 5.9
102 0 -4 3 35.631 71.262 1.32223 69.9 7.4 7.0 5.9
103 -4 -2 2 35.879 71.758 1.3143 10.8 1.1 1.1 5.9
104 -4 2 0 36.51 73.019 1.29468 24.3 2.6 2.4 6.0
105 0 -2 4 36.819 73.638 1.28532 24.5 2.6 2.5 6.0
106 0 0 4 37.296 74.593 1.27122 14.1 1.5 1.4 6.0
107 2 -2 3 37.336 74.672 1.27007 15.6 1.7 1.6 6.0
108 -1 4 2 37.499 74.999 1.26534 41.6 4.4 4.2 6.0
109 2 -4 2 37.562 75.125 1.26353 50.4 5.4 5.0 6.0
110 -1 -5 2 37.862 75.725 1.255 41.2 4.4 4.1 6.0
111 -1 3 3 38.105 76.209 1.24823 9.5 1.0 0.9 6.0
112 -2 -3 4 38.165 76.33 1.24655 17.0 1.8 1.7 6.0
113 -4 1 3 38.301 76.603 1.24279 13.0 1.4 1.3 6.0
114 -2 5 0 40.089 80.178 1.19614 25.1 2.7 2.5 6.0
115 -3 1 4 40.211 80.422 1.19312 48.5 5.2 4.8 6.0
116 -2 -5 1 40.515 81.03 1.18569 48.8 5.2 4.8 6.1
117 2 3 2 40.584 81.169 1.18402 27.6 2.9 2.7 6.1
118 4 1 1 40.978 81.956 1.17462 50.6 5.4 5.0 6.1
119 -3 3 3 41.512 83.024 1.1622 28.5 3.0 2.8 6.1
120 1 0 4 41.734 83.468 1.15714 25.8 2.7 2.5 6.1
121 -4 -3 3 41.787 83.575 1.15594 35.6 3.8 3.5 6.1
122 -4 3 2 41.824 83.649 1.1551 63.1 6.7 6.2 6.1
123 -1 2 4 42.097 84.194 1.14901 9.9 1.1 1.0 6.1
124 -5 -1 1 43.197 86.394 1.12531 20.5 2.2 2.0 6.1
125 4 -3 1 43.281 86.561 1.12356 18.4 2.0 1.8 6.1
126 1 5 1 43.488 86.977 1.11926 29.6 3.1 2.9 6.1
127 4 3 0 43.859 87.717 1.11171 10.1 1.1 1.0 6.2
128 2 -4 3 43.938 87.875 1.11011 10.7 1.1 1.0 6.2
129 -3 2 4 44.151 88.303 1.10584 16.4 1.7 1.6 6.2
130 0 2 4 44.488 88.976 1.09921 15.9 1.7 1.5 6.2
131 -5 0 3 44.551 89.102 1.09798 33.3 3.5 3.2 6.2
132 1 1 4 44.615 89.229 1.09674 27.6 2.9 2.7 6.2
133 0 -6 1 44.713 89.427 1.09483 13.1 1.4 1.3 6.2
134 5 0 0 44.776 89.552 1.09362 17.8 1.9 1.7 6.2
135 -5 1 0 44.837 89.675 1.09245 22.2 2.4 2.1 6.2
136 -1 -1 5 44.961 89.923 1.09007 11.5 1.2 1.1 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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